0 mol 16 unq 0 iso 0 dist 9.30471 10.3757 7.03948 12.8949 6.92781 5.47769 6.88552 5.05803 6.2983 6.31718 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 9.30471 10.3757 7.03948 12.8949 6.92781 5.47769 15.1225 12.5273 5.94084 7.63133 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 9.30471 10.3757 7.03948 16.6039 10.7015 6.58035 15.1225 12.5273 5.94084 5.46498 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 6.41045 10.26 6.20943 13.3505 7.67038 7.82528 13.0519 10.4091 10.4988 7.20519 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 6.41045 10.26 6.20943 13.3505 7.67038 7.82528 13.3276 8.4674 5.14627 4.54938 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 6.41045 10.26 6.20943 13.3505 7.67038 7.82528 7.64353 4.51865 4.69858 6.864 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 6.12361 10.6118 8.82012 16.5144 13.2136 9.16962 22.0595 18.9645 11.887 8.34347 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 9.64871 4.97497 9.54144 8.75668 10.6748 8.68586 7.26966 14.5656 5.3948 9.67592 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 18.5071 12.0662 15.209 7.47343 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 14.9329 9.60661 10.9608 6.65086 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 10.3954 9.35224 5.69137 6.56369 numMergedOcc 0
11 mol 100 unq 3 iso 0 dist 7.689 4.71183 6.58204 11.1764 5.88134 7.75343 13.2084 10.5853 9.21622 9.30209 numMergedOcc 0
12 mol 100 unq 4 iso 0 dist 9.22737 10.2716 7.75343 12.7823 5.88134 6.58204 6.60925 6.65086 10.9608 9.60661 numMergedOcc 0
13 mol 100 unq 5 iso 0 dist 9.22737 10.2716 7.75343 12.7823 5.88134 6.58204 12.0206 10.5134 5.01145 7.17106 numMergedOcc 0
14 mol 100 unq 6 iso 0 dist 9.22737 10.2716 7.75343 12.7823 5.88134 6.58204 4.95357 6.56369 5.69137 9.35224 numMergedOcc 0
15 mol 127 unq 0 iso 0 dist 9.89053 5.24695 6.63981 12.3692 6.16471 7.34519 10.5171 11.3474 7.41404 8.14887 numMergedOcc 0
16 mol 127 unq 1 iso 0 dist 9.89053 5.24695 6.63981 12.3692 6.16471 7.34519 17.379 14.9565 13.1312 9.30299 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 8.86784 10.0815 8.6355 15.1513 8.80819 8.79571 6.65283 6.49416 5.41704 8.94367 numMergedOcc 0
18 mol 134 unq 1 iso 0 dist 8.86784 10.0815 8.6355 15.1513 8.80819 8.79571 12.2198 12.5075 6.17103 9.86662 numMergedOcc 0
19 mol 134 unq 2 iso 0 dist 8.86784 10.0815 8.6355 11.3169 5.00817 5.42582 6.65283 6.49416 5.41704 6.37586 numMergedOcc 0
20 mol 134 unq 3 iso 0 dist 8.86784 10.0815 8.6355 11.3169 5.00817 5.42582 12.2198 12.5075 6.17103 9.71307 numMergedOcc 0
21 mol 134 unq 4 iso 0 dist 9.16358 5.0903 8.79571 6.48328 5.49782 5.42582 10.0911 8.94367 5.41704 6.37586 numMergedOcc 0
22 mol 134 unq 5 iso 0 dist 9.16358 5.0903 8.79571 6.48328 5.49782 5.42582 9.66197 9.86662 6.17103 9.71307 numMergedOcc 0
23 mol 134 unq 6 iso 0 dist 9.16358 5.0903 8.79571 11.0053 8.80819 8.6355 14.537 11.9139 10.1448 6.54501 numMergedOcc 0
24 mol 134 unq 7 iso 0 dist 9.16358 5.0903 8.79571 11.0053 8.80819 8.6355 10.0911 8.94367 5.41704 6.49416 numMergedOcc 0
25 mol 134 unq 8 iso 0 dist 6.48328 5.0903 5.42582 9.16358 5.49782 8.79571 10.0911 6.37586 5.41704 8.94367 numMergedOcc 0
26 mol 134 unq 9 iso 0 dist 6.48328 5.0903 5.42582 9.16358 5.49782 8.79571 9.66197 9.71307 6.17103 9.86662 numMergedOcc 0
27 mol 134 unq 10 iso 0 dist 6.48328 5.0903 5.42582 11.0053 5.00817 8.6355 14.537 9.5126 10.1448 6.54501 numMergedOcc 0
28 mol 134 unq 11 iso 0 dist 6.48328 5.0903 5.42582 11.0053 5.00817 8.6355 10.0911 6.37586 5.41704 6.49416 numMergedOcc 0
29 mol 155 unq 0 iso 0 dist 8.57712 6.6805 7.39644 12.9795 10.7616 7.36102 14.7612 10.7829 8.27726 6.43582 numMergedOcc 0
30 mol 224 unq 0 iso 0 dist 7.49783 10.7068 6.67585 11.5265 4.70378 6.65984 12.8561 8.95269 5.29877 6.57273 numMergedOcc 0
31 mol 224 unq 1 iso 0 dist 7.49783 10.7068 6.67585 11.5265 4.70378 6.65984 15.8606 9.99123 6.12232 6.60589 numMergedOcc 0
32 mol 227 unq 0 iso 0 dist 8.27093 6.92493 8.17891 9.02226 5.22356 6.95902 10.9396 7.22101 6.43754 8.65997 numMergedOcc 0
33 mol 227 unq 1 iso 0 dist 9.02226 6.92493 6.95902 8.27093 5.22356 8.17891 10.9396 8.65997 6.43754 7.22101 numMergedOcc 0
34 mol 227 unq 2 iso 0 dist 9.02226 6.92493 6.95902 8.27093 5.22356 8.17891 10.9533 10.8157 9.13836 7.09863 numMergedOcc 0
35 mol 234 unq 0 iso 0 dist 5.46736 10.024 6.25105 10.8568 5.88703 7.85175 4.93623 6.56247 11.216 9.45496 numMergedOcc 0
36 mol 234 unq 1 iso 0 dist 5.46736 10.024 6.25105 10.8568 5.88703 7.85175 11.7817 9.36357 11.4315 6.7625 numMergedOcc 0
37 mol 236 unq 0 iso 0 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 15.6279 9.81562 11.8759 8.03456 numMergedOcc 0
38 mol 236 unq 1 iso 0 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 13.7246 7.68742 11.3552 6.84306 numMergedOcc 0
39 mol 236 unq 2 iso 0 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 10.5269 6.27581 6.04825 9.99038 numMergedOcc 0
40 mol 236 unq 3 iso 0 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 16.5976 13.499 12.6468 9.78037 numMergedOcc 0
41 mol 236 unq 4 iso 0 dist 7.87233 4.71339 5.34718 9.13551 7.28249 7.17676 7.41812 11.2141 6.40312 8.35971 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 9.58767 10.8712 9.68513 13.7175 10.1648 9.29858 18.8597 12.8711 13.069 5.72887 numMergedOcc 0
43 mol 276 unq 0 iso 0 dist 7.85804 7.32389 9.38971 12.5062 8.88126 8.76347 6.48311 10.1216 7.54851 9.8993 numMergedOcc 0
44 mol 276 unq 1 iso 0 dist 7.85804 7.32389 9.38971 12.5062 8.88126 8.76347 11.2477 12.3012 6.4102 6.87396 numMergedOcc 0
